Rutile
Swope R J, Smyth J R, Larson A C
American Mineralogist 80 (1995) 448-453
H in rutile-type compounds: I. Single-crystal neutron and X-ray diffraction
study of H in rutile
Sample: X-ray; synthetic, T = 300 K
_database_code_amcsd 0001737
4.5922 4.5922 2.9574 90 90 90 P4_2/mnm
atom      x      y z  occ U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
Ti        0      0 0 .992 .00682 .00682 .00500 -.00012      0      0
O    .30496 .30496 0       .0054  .0054  .0047 -.00163      0      0